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CHEBI:211586 - Debromohamigeran A

ChEBI IDCHEBI:211586
ChEBI NameDebromohamigeran A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILESCOC(=O)[C@]1(O)C(=O)c2c(O)cc(C)cc2[C@H]2[C@@H](C(C)C)CC[C@]21C
InChIInChI=1S/C20H26O5/c1-10(2)12-6-7-19(4)16(12)13-8-11(3)9-14(21)15(13)17(22)20(19,24)18(23)25-5/h8-10,12,16,21,24H,6-7H2,1-5H3/t12-,16-,19-,20-/m1/s1
InChIKeyNIVOQQYVGQDRLU-DJGFWBNSSA-N
Species of MetaboliteComponentSourceComments
Hamigera (ncbitaxon:39196) - DOI (10.1021/np9903494)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Debromohamigeran A (CHEBI:211586) is a naphthoic acid (CHEBI:25483)
IUPAC Name 
methyl (1R,3aR,4R,9bR)-4,6-dihydroxy-3a,8-dimethyl-5-oxo-1-propan-2-yl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalene-4-carboxylate
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8982847ChemSpider